copper(15N)carbonitrile

• ChemBase ID: 151378
• Molecular Formular: CCuN
• Molecular Mass: 90.5568089
• Monoisotopic Mass: 89.9297064
• SMILES: C(#[15N])[Cu]
• Canonical SMILES: [Cu]C#[15N]
• InChI: InChI=1S/CN.Cu/c1-2;/i2+1
• InChIKey: DULSAGLWMRMKCQ-CGOMOMTCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(^1^5N)carbonitrile
• IUPAC Traditional name: copper(^1^5N)carbonitrile
• Synonyms: Copper(I) cyanide-15N; 氰化铜(I)-15N

Database IDs

• CAS Number: 204571-13-1
• MDL Number: MFCD00190519
• PubChem SID: 24866516; 162245532
• PubChem CID: 16212737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0461
• LogD (pH = 7.4): 0.0461
• Log P: 0.0461
• Molar Refractivity: 6.6556 cm^3
• Polarizability: 5.5687637 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 454 °C(lit.)
• Density: 2.920 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1587
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-32-50/53
• Safety Statements: 7-28-29-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• RID/ADR: UN 1587 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 90.53 by atom % calculation
• Linear Formula: CuC15N

DETAILS

Sigma Aldrich - 423645

Packaging
1 g in glass bottle
250 mg in glass bottle
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